Structure Information
Structure

Compound Identification

SMILES

CCCN1C2=C(N(CCN3CCOCC3)C(=N2)C2=CC(=CC=C2)C(F)(F)F)C(=O)NC1=O

InChIKey

InChIKey=NQGMKFPJXBSMLW-UHFFFAOYSA-N

Formula

C21H24F3N5O3

Mass

451.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylimidazole - Xanthine - 6-oxopurine - Trifluoromethylbenzene - Purinone - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Urea - Lactam - Azacycle - Oxacycle - Dialkyl ether - Ether - Alkyl halide - Organic oxide - Hydrocarbon derivative - Alkyl fluoride - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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